1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine

C27H39N3O2 — CID 102270460

IUPAC1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine
SMILESC=CCN(CC=C)C(CCCCCC)c1nc(Cc2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C27H39N3O2/c1-4-7-8-12-15-25(29(16-5-2)17-6-3)26-28-24(22-23-13-10-9-11-14-23)27(32-26)30-18-20-31-21-19-30/h5-6,9-11,13-14,25H,2-4,7-8,12,15-22H2,1H3
InChIKeyAXSCFRICRKFISX-UHFFFAOYSA-N
MW437.63 g/mol
LogP5.79
Rot. Bonds14

About 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine (PubChem CID 102270460) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine.

Molecular Properties

Compound Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine
PubChem CID102270460
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine
SMILESC=CCN(CC=C)C(CCCCCC)c1nc(Cc2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C27H39N3O2/c1-4-7-8-12-15-25(29(16-5-2)17-6-3)26-28-24(22-23-13-10-9-11-14-23)27(32-26)30-18-20-31-21-19-30/h5-6,9-11,13-14,25H,2-4,7-8,12,15-22H2,1H3
InChIKeyAXSCFRICRKFISX-UHFFFAOYSA-N
XLogP5.79
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-1-[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)heptyl]pyrrolidine-2-carboxylate
CID 101133614
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)hexan-1-one
CID 102173601
(Z)-4-[[1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-2-phenylsulfanylethyl]-(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 135020832
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-3-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 56665763
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N-[(4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 56672876
4-[(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-[4-(dimethylamino)phenyl]methyl]-2,6-ditert-butylphenol
CID 132539119
4-(4-benzyl-1,3-oxazol-5-yl)morpholine
CID 135041945
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-(furan-2-ylmethyl)methanamine
CID 56665422
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropylmethanamine
CID 56668438
methyl 2-[[4-benzyl-2-[1-[benzyl(5-hydroxypentyl)amino]heptyl]-1,3-oxazol-5-yl]-methylamino]acetate
CID 101121104
1-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-2-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 56669360
1-[4-[(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
CID 23633442

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine?
The IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine (CID 102270460) is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine.
What is the SMILES notation for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine?
The canonical SMILES for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine is C=CCN(CC=C)C(CCCCCC)c1nc(Cc2ccccc2)c(N2CCOCC2)o1.
What is the InChIKey of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine?
The InChIKey is AXSCFRICRKFISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-4-7-8-12-15-25(29(16-5-2)17-6-3)26-28-24(22-23-13-10-9-11-14-23)27(32-26)30-18-20-31-21-19-30/h5-6,9-11,13-14,25H,2-4,7-8,12,15-22H2,1H3.
What are the key properties of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine?
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine has a molecular weight of 437.63 g/mol, XLogP of 5.79, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-N,N-bis(prop-2-enyl)heptan-1-amine is sourced from PubChem (CID 102270460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).